https://github.com/hannesstark/3dinfomax

Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
https://github.com/hannesstark/3dinfomax

3d dgl-graph gnn graph graph-neural-networks graph-representation-learning molecules pytorch-geometric self-supervised-learning

Last synced: 24 days ago
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Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

• Host: GitHub
• URL: https://github.com/hannesstark/3dinfomax
• Owner: HannesStark
• Created: 2021-05-17T06:15:42.000Z (over 3 years ago)
• Default Branch: master
• Last Pushed: 2023-10-08T04:35:18.000Z (about 1 year ago)
• Last Synced: 2024-08-09T13:20:37.271Z (4 months ago)
• Topics: 3d, dgl-graph, gnn, graph, graph-neural-networks, graph-representation-learning, molecules, pytorch-geometric, self-supervised-learning
• Language: Python
• Homepage:
• Size: 155 MB
• Stars: 147
• Watchers: 3
• Forks: 31
• Open Issues: 3
• Metadata Files:
  • Readme: README.md

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